3-nitro-4-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]benzenesulfonamide

Systemtic Name: 3-nitro-4-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]benzenesulfonamide Openeye Name: 3-nitro-4-[(2-pyrrolidin-1-yl-4-pyridyl)methylamino]benzenesulfonamide CAS Name: 3-nitro-4-[[2-(1-pyrrolidinyl)-4-pyridinyl]methylamino]benzenesulfonamide IUPAC Name: 3-nitro-4-[(2-pyrrolidin-1-ylpyridin-4-yl)methylamino]benzenesulfonamide Traditional Name: 3-nitro-4-[(2-pyrrolidino-4-pyridyl)methylamino]benzenesulfonamide Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=CC(=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC=CC(=C2)CNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S/c17-26(24,25)13-3-4-14(15(10-13)21(22)23)19-11-12-5-6-18-16(9-12)20-7-1-2-8-20/h3-6,9-10,19H,1-2,7-8,11H2,(H2,17,24,25)